[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone

C20H23NO3 — CID 110886871

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
SMILESO=C(c1ccccc1COc1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C20H23NO3/c22-14-16-7-6-12-21(13-16)20(23)19-11-5-4-8-17(19)15-24-18-9-2-1-3-10-18/h1-5,8-11,16,22H,6-7,12-15H2
InChIKeyLUQHLYROYMYCSB-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.11
Rot. Bonds5

About [3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone

[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone (PubChem CID 110886871) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
PubChem CID110886871
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
SMILESO=C(c1ccccc1COc1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C20H23NO3/c22-14-16-7-6-12-21(13-16)20(23)19-11-5-4-8-17(19)15-24-18-9-2-1-3-10-18/h1-5,8-11,16,22H,6-7,12-15H2
InChIKeyLUQHLYROYMYCSB-UHFFFAOYSA-N
XLogP3.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119396946
[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 78774462
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 111561150
[3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone
CID 110886796
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 110886887
cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone
CID 17411575
[4-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119544892
[2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 94816596
N-[1-[2-(phenoxymethyl)benzoyl]piperidin-4-yl]benzamide
CID 18131786

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone (CID 110886871) is [3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone is O=C(c1ccccc1COc1ccccc1)N1CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone?
The InChIKey is LUQHLYROYMYCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-14-16-7-6-12-21(13-16)20(23)19-11-5-4-8-17(19)15-24-18-9-2-1-3-10-18/h1-5,8-11,16,22H,6-7,12-15H2.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone?
[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone has a molecular weight of 325.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone is sourced from PubChem (CID 110886871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).